O-(4-hydroxy-3-iodophenyl)-3-iodotyrosine
PubChem CID: 53477796
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| Compound Synonyms | O-(4-hydroxy-3-iodophenyl)-3-iodotyrosine, 3,3'-T2, SCHEMBL3177460, O-(4-Hydroxy-3-iodophenyl)-3-iodo-Tyrosine, 3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]-L-alanine, L-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]-alanine, L-beta-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]-alanine, (2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid, (R)-2-Amino-3-(4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl)propanoic acid, 1241676-10-7 |
|---|---|
| Topological Polar Surface Area | 92.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Description | 3,3'-Diiodothyronine is a precursor of thyroid hormone. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 385.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C15H13I2NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CPCJBZABTUOGNM-GFCCVEGCSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -2.778 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | 2.056 |
| Synonyms | 3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]-L-alanine, 3,3'-diiodo-L-thyronine, 3,3'-T2, L-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]-alanine, L-beta-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]-alanine, O-(4-hydroxy-3-iodophenyl)-3-iodo-L-tyrosine, O-(4-hydroxy-3-iodophenyl)-3-iodo-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3-iodotyrosine |
| Compound Name | O-(4-hydroxy-3-iodophenyl)-3-iodotyrosine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 524.893 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 524.893 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 525.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8369323636363646 |
| Inchi | InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m1/s1 |
| Smiles | C1=CC(=C(C=C1C[C@H](C(=O)O)N)I)OC2=CC(=C(C=C2)O)I |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycoris Radiata (Plant) Rel Props:Source_db:cmaup_ingredients